4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol

C15H23NO2 — CID 103993059

IUPAC4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol
SMILESCc1ccc(O)c(CNCCC2CCCCO2)c1
InChIInChI=1S/C15H23NO2/c1-12-5-6-15(17)13(10-12)11-16-8-7-14-4-2-3-9-18-14/h5-6,10,14,16-17H,2-4,7-9,11H2,1H3
InChIKeyCSJDLZDQMJZNJX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.75
Rot. Bonds5

About 4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol

4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol (PubChem CID 103993059) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol
PubChem CID103993059
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol
SMILESCc1ccc(O)c(CNCCC2CCCCO2)c1
InChIInChI=1S/C15H23NO2/c1-12-5-6-15(17)13(10-12)11-16-8-7-14-4-2-3-9-18-14/h5-6,10,14,16-17H,2-4,7-9,11H2,1H3
InChIKeyCSJDLZDQMJZNJX-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 55205702
2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 103948092
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992756
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115967929
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62134783
N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362830
N-[(3-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992828
N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992898
N-[(2-chloro-4-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362834
6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one
CID 97150785
4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82978354

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol (CID 103993059) is 4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol is Cc1ccc(O)c(CNCCC2CCCCO2)c1.
What is the InChIKey of 4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol?
The InChIKey is CSJDLZDQMJZNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-5-6-15(17)13(10-12)11-16-8-7-14-4-2-3-9-18-14/h5-6,10,14,16-17H,2-4,7-9,11H2,1H3.
What are the key properties of 4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol?
4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 103993059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).